5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

C15H13F3N6O3 — CID 170606803

IUPAC5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1CN(c2ncc(F)c3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C15H13F3N6O3/c1-27-10-5-23(6-15(10,17)18)12-7-4-24(22-11(7)8(16)2-19-12)9-3-20-14(26)21-13(9)25/h2-4,10H,5-6H2,1H3,(H2,20,21,25,26)
InChIKeyACBCFTOXTUBZBZ-UHFFFAOYSA-N
MW382.30 g/mol
LogP0.41
Rot. Bonds3

About 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606803) has the molecular formula C15H13F3N6O3 and a molecular weight of 382.30 g/mol. Its IUPAC name is 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606803
Molecular FormulaC15H13F3N6O3
Molecular Weight382.30 g/mol
Exact Mass382.10
IUPAC Name5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1CN(c2ncc(F)c3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C15H13F3N6O3/c1-27-10-5-23(6-15(10,17)18)12-7-4-24(22-11(7)8(16)2-19-12)9-3-20-14(26)21-13(9)25/h2-4,10H,5-6H2,1H3,(H2,20,21,25,26)
InChIKeyACBCFTOXTUBZBZ-UHFFFAOYSA-N
XLogP0.41
TPSA108.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606803) is 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is COC1CN(c2ncc(F)c3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F.
What is the InChIKey of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ACBCFTOXTUBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O3/c1-27-10-5-23(6-15(10,17)18)12-7-4-24(22-11(7)8(16)2-19-12)9-3-20-14(26)21-13(9)25/h2-4,10H,5-6H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 382.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).